5TKT

FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Factor XIa (Light Chain)	polymer	244	27600.3	1	UniProt (P03951) Pfam (PF00089)	Homo sapiens (Human)	FXI,Plasma thromboplastin antecedent,PTA
2	B (A)	METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, 7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE	non-polymer		588.0	1	Chemie (7DS)
3	C, D (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E, F, G, H, I... (A)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
5	P (A)	water	water		18.0	238	Chemie (HOH)

Sequence modifications

A: 16 - 245 (UniProt: P03951)

PDB	External Database	Details
Gly 113	Asn 491	engineered mutation
Gly 115	Thr 493	engineered mutation
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27600.3
Non-Polymers*	Number of molecules	14
	Total formula weight	1462.9
All*	Total formula weight	29063.2

*Water molecules are not included.